CID 19627414

[2-(cyclohexylmethoxy)phenyl]methanamine

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)COC2=CC=CC=C2CN
InChI
InChI=1S/C14H21NO/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,15H2
InChIKey
HVAYQGHLKLBVTI-UHFFFAOYSA-N
Compound name
[2-(cyclohexylmethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 151.5
[M+Na]+ 242.151528 155.1
[M-H]- 218.155034 156.5
[M+NH4]+ 237.196133 169.0
[M+K]+ 258.125468 151.9
[M+H-H2O]+ 202.159570 144.0
[M+HCOO]- 264.160511 172.2
[M+CH3COO]- 278.176161 190.4
[M+Na-2H]- 240.136976 155.2
[M]+ 219.16176142 146.4
[M]- 219.16285858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe